3-Chloro-5-fluoro-2-methylbenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 3-Chloro-5-fluoro-2-methylbenzene-1-sulfonyl chloride
• CAS No.: 306937-30-4
• Molecular Formula: C₇H₅Cl₂FO₂S
• Molecular Weight: 243.086
• DSSTox Substance ID: DTXSID50378625
• Wikidata: Q82168111
• Mol file: 306937-30-4.mol

Synonyms:306937-30-4;3-chloro-5-fluoro-2-methylbenzenesulfonyl chloride;3-chloro-5-fluoro-2-methylbenzene-1-sulfonyl chloride;3-Chloro-5-fluoro-2-methylbenzenesulfonylchloride;3-Chloro-5-fluoro-2-methylbenzene-sulfonyl chloride;SCHEMBL1501056;DTXSID50378625;MFCD02180955;AKOS006222064;FT-0600689;A820562;Benzenesulfonyl chloride, 3-chloro-5-fluoro-2-methyl-

Chemical Property of 3-Chloro-5-fluoro-2-methylbenzene-1-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00199mmHg at 25°C
• Melting Point: 27-29
• Boiling Point: 300.5°C at 760 mmHg
• Flash Point: 135.6°C
• PSA: 42.52000
• Density: 1.533g/cm³
• LogP: 3.79580
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 241.9371341
• Heavy Atom Count: 13
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

3-Chloro-5-fluoro-2-methylbenzene-sulfonyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1Cl)F)S(=O)(=O)Cl

Technology Process of 3-Chloro-5-fluoro-2-methylbenzene-1-sulfonyl chloride

There total 2 articles about 3-Chloro-5-fluoro-2-methylbenzene-1-sulfonyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-benzylsulfanyl-3-chloro-5-fluoro-2-methylbenzene → 3-chloro-5-fluoro-2-methylbenzenesulfonyl chloride (306937-30-4)

Guidance literature:

With N-chloro-succinimide; acetic acid; In water; at 25 ℃; for 3h;

Reference yield:

1-bromo-3-chloro-5-fluoro-2-methyl-benzene → 3-chloro-5-fluoro-2-methylbenzenesulfonyl chloride (306937-30-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / N,N-dimethyl-formamide / 15 h / 100 °C / Inert atmosphere

2: acetic acid; N-chloro-succinimide / water / 3 h / 25 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-chloro-succinimide; acetic acid; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In water; N,N-dimethyl-formamide;

Refernces